[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H16N2O3S2/c1-2-12-3-5-13(6-4-12)15(21)9-23-16(22)10-25-18-14-7-8-24-17(14)19-11-20-18/h3-8,11H,2,9-10H2,1H3